1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-phenylpropan-2-ol

C15H19NO3 — CID 111466623

IUPAC1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-phenylpropan-2-ol
SMILESOCc1ccc(CNCC(O)Cc2ccccc2)o1
InChIInChI=1S/C15H19NO3/c17-11-15-7-6-14(19-15)10-16-9-13(18)8-12-4-2-1-3-5-12/h1-7,13,16-18H,8-11H2
InChIKeyLYPDPMRWLZJYDX-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.47
Rot. Bonds7

About 1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-phenylpropan-2-ol

1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-phenylpropan-2-ol (PubChem CID 111466623) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-phenylpropan-2-ol
PubChem CID111466623
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-phenylpropan-2-ol
SMILESOCc1ccc(CNCC(O)Cc2ccccc2)o1
InChIInChI=1S/C15H19NO3/c17-11-15-7-6-14(19-15)10-16-9-13(18)8-12-4-2-1-3-5-12/h1-7,13,16-18H,8-11H2
InChIKeyLYPDPMRWLZJYDX-UHFFFAOYSA-N
XLogP1.47
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4,4-dimethylpentan-2-ol
CID 103699609
3-ethyl-1-[[5-(hydroxymethyl)furan-2-yl]methylamino]pentan-2-ol
CID 103699386
1-(cyclopropylmethylamino)-3-phenylpropan-2-ol
CID 111104724
1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 111466680
[5-[(2-phenylsulfanylethylamino)methyl]furan-2-yl]methanol
CID 64592561
tert-butyl N-[(2S,3R)-3-hydroxy-4-[(5-methylfuran-2-yl)methylamino]-1-phenylbutan-2-yl]carbamate
CID 90768857
N-[(2S)-2-hydroxy-3-phenylpropyl]acetamide
CID 95367778
[5-[[[(1R)-1-phenylethyl]amino]methyl]furan-2-yl]methanol
CID 79032632
[5-[[(2-fluorophenyl)methylamino]methyl]furan-2-yl]methanol
CID 64578780
[(2S,3R)-4-(furan-2-ylmethylamino)-3-hydroxy-1-phenylbutan-2-yl]carbamic acid
CID 70143190
1-(2,4-dichlorophenyl)-2-[[5-(hydroxymethyl)furan-2-yl]methylamino]ethanol
CID 111466747
1-[(4-methylsulfonylphenyl)methylamino]-3-phenylpropan-2-ol
CID 23060817

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-phenylpropan-2-ol?
The IUPAC name of 1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-phenylpropan-2-ol (CID 111466623) is 1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-phenylpropan-2-ol.
What is the SMILES notation for 1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-phenylpropan-2-ol?
The canonical SMILES for 1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-phenylpropan-2-ol is OCc1ccc(CNCC(O)Cc2ccccc2)o1.
What is the InChIKey of 1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-phenylpropan-2-ol?
The InChIKey is LYPDPMRWLZJYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c17-11-15-7-6-14(19-15)10-16-9-13(18)8-12-4-2-1-3-5-12/h1-7,13,16-18H,8-11H2.
What are the key properties of 1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-phenylpropan-2-ol?
1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-phenylpropan-2-ol has a molecular weight of 261.32 g/mol, XLogP of 1.47, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-phenylpropan-2-ol is sourced from PubChem (CID 111466623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).